C22H17ClN2O4
TL;DR: C22H17ClN2O4 (CAS 1164558-35-3) is a chemical compound with molecular formula C22H17ClN2O4 and molecular weight 408.08768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,6S,7R,8S,12R)-5-(2-chlorophenyl)-10-(4-methylphenyl)-3,13-dioxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
Also Known As: (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione, (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(p-tolyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione
Technical Specifications
| Molecular Formula | C22H17ClN2O4 |
| Molecular Weight | 408.08768 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.08768 Da |
| Heavy Atoms | 29 |
| Complexity | 764.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]4[C@@H]5[C@H]([C@H]3O4)C(=NO5)C6=CC=CC=C6Cl |
| InChIKey | BEOMBOUNMHUPDF-AEVHBADWSA-N |
Chemical Property Profile of C22H17ClN2O4
Property Insights of C22H17ClN2O4
The XLogP value of 3.0 indicates that C22H17ClN2O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H17ClN2O4. Following Lipinski's Rule of Five, C22H17ClN2O4 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C22H17ClN2O4?
The CAS number of C22H17ClN2O4 is 1164558-35-3.
What is the molecular formula of C22H17ClN2O4?
The molecular formula of C22H17ClN2O4 is C22H17ClN2O4.
What is the molecular weight of C22H17ClN2O4?
The molecular weight of C22H17ClN2O4 is 408.08768 g/mol.
Where can I buy C22H17ClN2O4?
You can request a quote for C22H17ClN2O4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H17ClN2O4?
Yes, CoreyChem provides custom synthesis services for C22H17ClN2O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.